SCHEMBL2687976

SCHEMBL2687976

Cc1ccccc1C1=CC(=O)OC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
IDO1 P14902 2/20 0.41
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1471929 0.75 ALOX15 (0.41) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL27678183 0.75 PTPN1 (0.47) ALOX15TDP1ALDH1A1HPGDMAOB
SCHEMBL10879753 0.75 MAPK1 (0.41) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL28179294 0.75 PTPN1 (0.53) CYP2C19ALOX15TDP1SMN1; SMN2CASP3
SCHEMBL10407696 0.75 PTPRC (0.53) ALOX15TDP1SMN1; SMN2NPC1RAB9A
SCHEMBL28483481 0.75 L3MBTL1 (0.50) CYP2C19KDM4ETDP1SMN1; SMN2NPC1
SCHEMBL11544154 0.72 PTPN1 (0.56) KDM4EALOX15TDP1SMN1; SMN2CASP3
SCHEMBL10781014 0.71 ALOX15 (0.33) ALOX15TDP1
SCHEMBL27275799 0.71 TDP1 (0.37) CYP1A2CYP2C19KDM4EALOX15TDP1
SCHEMBL27904091 0.71 DPP4 (0.47) CYP1A2CYP2C19ALOX15TDP1NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103314031-B Polyether ester polyols BASF SE 2014-12-31 CN disclosed
EP-2638095-B1 POLYETHERESTER POLYOLS BASF SE (DE) 2014-07-09 EP disclosed
EP-2638095-A1 POLYETHERESTER POLYOLS BASF SE (DE) 2013-09-18 EP disclosed
CN-103314031-A Polyether ester polyols BASF SE 2013-09-18 CN disclosed
WO-2012062683-A1 POLYETHERESTER POLYOLS BASF SE (DE) 2012-05-18 WO disclosed
US-20120116044-A1 POLYETHERESTER POLYOLS BASF SE (DE) 2012-05-10 US disclosed
US-4726835-A Herbicidal and plant growth regulating imidazoline derivatives IDEMITSU KOSAN COMPANY LIMITED (JP) 1988-02-23 US disclosed
EP-0227967-A2 Imidazoline derivatives, process for preparing same, herbicide containing same, and plant growth regulator containing same IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-08 EP disclosed
US-4075167-A MALEIMIDO GROUP-CONTAINING ORGANOSILICON COMPOUNDS DAI NIPPON PRINTING CO., LTD. (JA) 1978-02-21 US disclosed
US-4019904-A INK REPELLENT DAI NIPPON PRINTING COMPANY LIMITED (JA) 1977-04-26 US disclosed